⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29219441 | 0.71 | KDM4E (0.44) | — | |
| SCHEMBL398108 | 0.69 | — | — | |
| SCHEMBL18664102 | 0.67 | — | — | |
| SCHEMBL24340454 | 0.67 | — | — | |
| SCHEMBL28618313 | 0.67 | — | — | |
| SCHEMBL23623231 | 0.65 | — | — | |
| SCHEMBL14139395 | 0.63 | KDM4E (0.34) | — | |
| SCHEMBL17780232 | 0.62 | KDM4E (0.38) | — | |
| SCHEMBL21744369 | 0.61 | — | — | |
| SCHEMBL21360188 | 0.61 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3269715-B1 | SUBSTITUTED 2-HYDROGEN-PYRAZOLE DERIVATIVE SERVING AS ANTICANCER DRUG | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) | 2020-05-13 | — | — | EP | disclosed |